Electronic structural and magnetic properties of Mn{sub 5}Ge{sub 3} clusters
Abstract
Theoretical understanding of the stability, ferromagnetism, and spin polarization of Mn{sub 5}Ge{sub 3} clusters has been performed by using the density functional theory with generalized gradient approximation for exchange and correlation. The magnetic moments and magnetic anisotropy energy (MAE) have been calculated for both bulk and clusters, and the enhanced magnetic moment as well as the enlarged MAE have been identified in clusters. The most attractive achievement is that Mn{sub 5}Ge{sub 3} clusters show a fine half-metallic character with large energy scales. The present results may have important implications for potential applications of small Mn{sub 5}Ge{sub 3} clusters as both emerging spintronics and next-generation data-storage technologies.
- Authors:
-
- School of Physical Science and Technology, Southwest University, Chongqing 400715 (China)
- Publication Date:
- OSTI Identifier:
- 22251358
- Resource Type:
- Journal Article
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Volume: 139; Journal Issue: 20; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANISOTROPY; DENSITY FUNCTIONAL METHOD; FERROMAGNETISM; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; SPIN ORIENTATION; STABILITY
Citation Formats
Yuan, H. K., Chen, H., E-mail: chenh@swu.edu.cn, Kuang, A. L., Tian, C. L., and Wang, J. Z. Electronic structural and magnetic properties of Mn{sub 5}Ge{sub 3} clusters. United States: N. p., 2013.
Web. doi:10.1063/1.4832741.
Yuan, H. K., Chen, H., E-mail: chenh@swu.edu.cn, Kuang, A. L., Tian, C. L., & Wang, J. Z. Electronic structural and magnetic properties of Mn{sub 5}Ge{sub 3} clusters. United States. https://doi.org/10.1063/1.4832741
Yuan, H. K., Chen, H., E-mail: chenh@swu.edu.cn, Kuang, A. L., Tian, C. L., and Wang, J. Z. 2013.
"Electronic structural and magnetic properties of Mn{sub 5}Ge{sub 3} clusters". United States. https://doi.org/10.1063/1.4832741.
@article{osti_22251358,
title = {Electronic structural and magnetic properties of Mn{sub 5}Ge{sub 3} clusters},
author = {Yuan, H. K. and Chen, H., E-mail: chenh@swu.edu.cn and Kuang, A. L. and Tian, C. L. and Wang, J. Z.},
abstractNote = {Theoretical understanding of the stability, ferromagnetism, and spin polarization of Mn{sub 5}Ge{sub 3} clusters has been performed by using the density functional theory with generalized gradient approximation for exchange and correlation. The magnetic moments and magnetic anisotropy energy (MAE) have been calculated for both bulk and clusters, and the enhanced magnetic moment as well as the enlarged MAE have been identified in clusters. The most attractive achievement is that Mn{sub 5}Ge{sub 3} clusters show a fine half-metallic character with large energy scales. The present results may have important implications for potential applications of small Mn{sub 5}Ge{sub 3} clusters as both emerging spintronics and next-generation data-storage technologies.},
doi = {10.1063/1.4832741},
url = {https://www.osti.gov/biblio/22251358},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 20,
volume = 139,
place = {United States},
year = {Thu Nov 28 00:00:00 EST 2013},
month = {Thu Nov 28 00:00:00 EST 2013}
}